Abstract: Layered double hydroxides(LDHs) with good biocompatibility and self-degradation have unique advantages in drug delivery systems. Drugs can be loaded in two-dimensional space of LDHs. In the meanwhile, it can be modified by different strategies to achieve multifunctional LDHs because of the adjustable variability of its spatial structure and composition, positively charged surface and polyhydroxy property. Multifunctional nanomaterials based on LDHs have a promising application in the field of cancer diagnosis and therapy at present. Therefore, this paper introduced the application of LDHs nanomaterials in the cancer diagnosis and treatment from targeted drug transport, biological imaging and the joint of two aspects, and summarized the biocompatibility problems LDHs faced and the possible solutions.